- InChI
- InChI=1S/C6H5ClS/c7-5-3-1-2-4-6(5)8/h1-4,8H
- InChI Key
- PWOBDMNCYMQTCE-UHFFFAOYSA-N
- Formula
- C6H5ClS
- SMILES
- Sc1ccccc1Cl
- Molecular Weight1
- 144.62
- CAS
- 6320-03-2
- Other Names
-
- Benzenethiol, o-chloro-
- o-Chlorobenzenethiol
- o-Chloromercaptobenzene
- o-Chlorothiophenol
- 2-Chlorobenzenethiol
- 2-Chlorothiophenol
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 119.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 80.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.01 | kJ/mol | Joback Calculated Property |
| log10WS | -2.67 | Crippen Calculated Property | |
| logPoct/wat | 2.629 | Crippen Calculated Property | |
| McVol | 100.230 | ml/mol | McGowan Calculated Property |
| Pc | 4749.69 | kPa | Joback Calculated Property |
| Tboil | 478.70 | K | NIST |
| Tc | 720.14 | K | Joback Calculated Property |
| Tfus | 262.70 | K | Joback Calculated Property |
| Vc | 0.366 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [165.41; 211.34] | J/mol×K | [468.63; 720.14] | 
|
| Cp,gas | 165.41 | J/mol×K | 468.63 | Joback Calculated Property |
| Cp,gas | 174.66 | J/mol×K | 510.55 | Joback Calculated Property |
| Cp,gas | 183.22 | J/mol×K | 552.47 | Joback Calculated Property |
| Cp,gas | 191.14 | J/mol×K | 594.38 | Joback Calculated Property |
| Cp,gas | 198.44 | J/mol×K | 636.30 | Joback Calculated Property |
| Cp,gas | 205.16 | J/mol×K | 678.22 | Joback Calculated Property |
| Cp,gas | 211.34 | J/mol×K | 720.14 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 478.70 | K | 34.70 | NIST |
Similar Compounds
Find more compounds similar to Benzenethiol, 2-chloro-.
Sources
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